copper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate

C40H32Cu2N6O15 — CID 139053544

IUPACcopper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate
SMILESO.O.O.O.O.O=C1C(=O)C(=O)C(=O)C1=O.O=C1C(=O)C(=O)C(=O)C1=O.[Cu].[Cu].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.2C5O5.2Cu.5H2O/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*6-1-2(7)4(9)5(10)3(1)8;;;;;;;/h2*1-11H;;;;;5*1H2
InChIKeyBGRLRVPWBXNAEX-UHFFFAOYSA-N
MW963.82 g/mol
LogP-2.03
Rot. Bonds4

About copper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate

copper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate (PubChem CID 139053544) has the molecular formula C40H32Cu2N6O15 and a molecular weight of 963.82 g/mol. Its IUPAC name is copper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate.

Molecular Properties

Compound Namecopper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate
PubChem CID139053544
Molecular FormulaC40H32Cu2N6O15
Molecular Weight963.82 g/mol
Exact Mass962.05
IUPAC Namecopper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate
SMILESO.O.O.O.O.O=C1C(=O)C(=O)C(=O)C1=O.O=C1C(=O)C(=O)C(=O)C1=O.[Cu].[Cu].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.2C5O5.2Cu.5H2O/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*6-1-2(7)4(9)5(10)3(1)8;;;;;;;/h2*1-11H;;;;;5*1H2
InChIKeyBGRLRVPWBXNAEX-UHFFFAOYSA-N
XLogP-2.03
TPSA405.54 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.82
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
CID 139115232
bis(oxygen(2-));bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);rhenium;tetrahexafluorophosphate;tetrahydrate
CID 139057412
Bis(2,2':6',2''-Terpyridine-N,N',N'')-manganese(ii) tetrathionate, trihydrate
CID 139058387
di-mu-sulfato-kappa^2^O:O'-bis[(2,2':6',2''-terpyridine-kappa^3^N^1^,N^1'^,N^1''^)zinc(II)] dihydrate
CID 139058832
Pentakis(2,6-dipyridin-2-ylpyridine);pentakis(lead(2+));decaperchlorate
CID 139060571
Bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium)
CID 139066852
Bis(2,2':6',2''-terpyridyl-kappa^3^N)manganese(II) bis(nitrate) dihydrate
CID 139067232
mu-Succinato-kappa^2^O^1^:O^4^-bis[(2,2'-bipyridine-kappa^2^N,N')copper(II)] succinate dodecahydrate
CID 139077703
mu-Oxalato-bis[bis(2,2'-bipyridine)manganese(II)] bis(perchlorate) 2,2'-bipyridine solvate
CID 139082033
{1,1'-Bis[(pyridin-2-yl)methyl]-2,2'-bipiperidyl}(perchlorato)copper(II) perchlorate
CID 139088374
Tricopper;2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(3,6-dichloro-4,5-dioxocyclohexa-2,6-diene-1,2-diolate);bis(2,6-dipyridin-2-ylpyridine)
CID 139130008
dicopper;bis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);methanol;methanolate;diperchlorate
CID 139130917

Frequently Asked Questions

What is the IUPAC name of copper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate?
The IUPAC name of copper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate (CID 139053544) is copper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate.
What is the SMILES notation for copper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate?
The canonical SMILES for copper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate is O.O.O.O.O.O=C1C(=O)C(=O)C(=O)C1=O.O=C1C(=O)C(=O)C(=O)C1=O.[Cu].[Cu].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of copper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate?
The InChIKey is BGRLRVPWBXNAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N3.2C5O5.2Cu.5H2O/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*6-1-2(7)4(9)5(10)3(1)8;;;;;;;/h2*1-11H;;;;;5*1H2.
What are the key properties of copper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate?
copper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate has a molecular weight of 963.82 g/mol, XLogP of -2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(cyclopentane-1,2,3,4,5-pentone);bis(2,6-dipyridin-2-ylpyridine);pentahydrate is sourced from PubChem (CID 139053544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).